N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C17H14F4N4O2 — CID 90393655

IUPACN-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(F)c2)o1
InChIInChI=1S/C17H14F4N4O2/c1-8-15(27-9(2)22-8)16(26)23-10-4-5-11(12(18)6-10)13-7-14(17(19,20)21)24-25(13)3/h4-7H,1-3H3,(H,23,26)
InChIKeyLOBAENGIHIZFRK-UHFFFAOYSA-N
MW382.32 g/mol
LogP4.10
Rot. Bonds3

About N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 90393655) has the molecular formula C17H14F4N4O2 and a molecular weight of 382.32 g/mol. Its IUPAC name is N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID90393655
Molecular FormulaC17H14F4N4O2
Molecular Weight382.32 g/mol
Exact Mass382.11
IUPAC NameN-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(F)c2)o1
InChIInChI=1S/C17H14F4N4O2/c1-8-15(27-9(2)22-8)16(26)23-10-4-5-11(12(18)6-10)13-7-14(17(19,20)21)24-25(13)3/h4-7H,1-3H3,(H,23,26)
InChIKeyLOBAENGIHIZFRK-UHFFFAOYSA-N
XLogP4.10
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 90393655) is N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(F)c2)o1.
What is the InChIKey of N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is LOBAENGIHIZFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N4O2/c1-8-15(27-9(2)22-8)16(26)23-10-4-5-11(12(18)6-10)13-7-14(17(19,20)21)24-25(13)3/h4-7H,1-3H3,(H,23,26).
What are the key properties of N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 382.32 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 90393655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).